Geometry & MOs

Info

ID:	392146
PubChem CID:	135013315
Reduced:	O2F3H13C18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	298.156895
ΔH_f, kcal/mol:	-153.11
Dipole, Da:	3.94
IP(EA), eV:	-9.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(oxan-2-yloxy)but-1-ynyl]phenyl]but-3-yn-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations